CID 643163

3,4-dimethyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CC1=C(NN=C1C(=O)O)C

InChI

InChI=1S/C6H8N2O2/c1-3-4(2)7-8-5(3)6(9)10/h1-2H3,(H,7,8)(H,9,10)

InChIKey

URZZLPLGTZFNST-UHFFFAOYSA-N

Compound name

4,5-dimethyl-1H-pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 390
Patents: 140.05858 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	141.06586	128.2
[M+Na]+	163.04780	138.6
[M+NH4]+	158.09240	134.6
[M+K]+	179.02174	136.8
[M-H]-	139.05130	126.6
[M+Na-2H]-	161.03325	131.7
[M]+	140.05803	128.8
[M]-	140.05913	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe